4-chloro-1,3-dimethylpyrazole-5-carbonyl chloride;4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide;dichloromethane;5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-amine

C31H35Cl5N14O2 — CID 159140963

About 4-chloro-1,3-dimethylpyrazole-5-carbonyl chloride;4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide;dichloromethane;5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-amine

4-chloro-1,3-dimethylpyrazole-5-carbonyl chloride;4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide;dichloromethane;5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-amine (PubChem CID 159140963) has the molecular formula C31H35Cl5N14O2 and a molecular weight of 812.98 g/mol. Its IUPAC name is 4-chloro-1,3-dimethylpyrazole-5-carbonyl chloride;4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide;dichloromethane;5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-amine.

Molecular Properties

• Compound Name: 4-chloro-1,3-dimethylpyrazole-5-carbonyl chloride;4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide;dichloromethane;5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-amine
• PubChem CID: 159140963
• Molecular Formula: C31H35Cl5N14O2
• Molecular Weight: 812.98 g/mol
• Exact Mass: 810.15
• IUPAC Name: 4-chloro-1,3-dimethylpyrazole-5-carbonyl chloride;4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide;dichloromethane;5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-amine
• SMILES: Cc1cc(-c2cnc(N)cn2)n(C)n1.Cc1cc(-c2cnc(NC(=O)c3c(Cl)c(C)nn3C)cn2)n(C)n1.Cc1nn(C)c(C(=O)Cl)c1Cl.ClCCl
• InChI: InChI=1S/C15H16ClN7O.C9H11N5.C6H6Cl2N2O.CH2Cl2/c1-8-5-11(22(3)20-8)10-6-18-12(7-17-10)19-15(24)14-13(16)9(2)21-23(14)4;1-6-3-8(14(2)13-6)7-4-12-9(10)5-11-7;1-3-4(7)5(6(8)11)10(2)9-3;2-1-3/h5-7H,1-4H3,(H,18,19,24);3-5H,1-2H3,(H2,10,12);1-2H3;1H2
• InChIKey: KIBXLJCTKNFZMY-UHFFFAOYSA-N
• XLogP: 6.08
• TPSA: 195.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	812.98
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,3-dimethylpyrazole-5-carbonyl chloride;4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide;dichloromethane;5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-amine?

The IUPAC name of 4-chloro-1,3-dimethylpyrazole-5-carbonyl chloride;4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide;dichloromethane;5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-amine (CID 159140963) is 4-chloro-1,3-dimethylpyrazole-5-carbonyl chloride;4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide;dichloromethane;5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-amine.

What is the SMILES notation for 4-chloro-1,3-dimethylpyrazole-5-carbonyl chloride;4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide;dichloromethane;5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-amine?

The canonical SMILES for 4-chloro-1,3-dimethylpyrazole-5-carbonyl chloride;4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide;dichloromethane;5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-amine is Cc1cc(-c2cnc(N)cn2)n(C)n1.Cc1cc(-c2cnc(NC(=O)c3c(Cl)c(C)nn3C)cn2)n(C)n1.Cc1nn(C)c(C(=O)Cl)c1Cl.ClCCl.

What is the InChIKey of 4-chloro-1,3-dimethylpyrazole-5-carbonyl chloride;4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide;dichloromethane;5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-amine?

The InChIKey is KIBXLJCTKNFZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN7O.C9H11N5.C6H6Cl2N2O.CH2Cl2/c1-8-5-11(22(3)20-8)10-6-18-12(7-17-10)19-15(24)14-13(16)9(2)21-23(14)4;1-6-3-8(14(2)13-6)7-4-12-9(10)5-11-7;1-3-4(7)5(6(8)11)10(2)9-3;2-1-3/h5-7H,1-4H3,(H,18,19,24);3-5H,1-2H3,(H2,10,12);1-2H3;1H2.

What are the key properties of 4-chloro-1,3-dimethylpyrazole-5-carbonyl chloride;4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide;dichloromethane;5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-amine?

4-chloro-1,3-dimethylpyrazole-5-carbonyl chloride;4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide;dichloromethane;5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-amine has a molecular weight of 812.98 g/mol, XLogP of 6.08, 5 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-1,3-dimethylpyrazole-5-carbonyl chloride;4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide;dichloromethane;5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-amine is sourced from PubChem (CID 159140963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).